A citation-based method for searching scientific literature

Ye Hu, Dagmar Stumpfe, Jürgen Bajorath. F1000Res 2013
Times Cited: 48







List of co-cited articles
243 articles co-cited >1



Times Cited
  Times     Co-cited
Similarity



Recent progress in understanding activity cliffs and their utility in medicinal chemistry.
Dagmar Stumpfe, Ye Hu, Dilyana Dimova, Jürgen Bajorath. J Med Chem 2014
124
41

Exploring activity cliffs in medicinal chemistry.
Dagmar Stumpfe, Jürgen Bajorath. J Med Chem 2012
204
39

MMP-Cliffs: systematic identification of activity cliffs on the basis of matched molecular pairs.
Xiaoying Hu, Ye Hu, Martin Vogt, Dagmar Stumpfe, Jürgen Bajorath. J Chem Inf Model 2012
135
33


ChEMBL: a large-scale bioactivity database for drug discovery.
Anna Gaulton, Louisa J Bellis, A Patricia Bento, Jon Chambers, Mark Davies, Anne Hersey, Yvonne Light, Shaun McGlinchey, David Michalovich, Bissan Al-Lazikani,[...]. Nucleic Acids Res 2012
25

The ChEMBL database in 2017.
Anna Gaulton, Anne Hersey, Michał Nowotka, A Patrícia Bento, Jon Chambers, David Mendez, Prudence Mutowo, Francis Atkinson, Louisa J Bellis, Elena Cibrián-Uhalte,[...]. Nucleic Acids Res 2017
928
20

Extended-connectivity fingerprints.
David Rogers, Mathew Hahn. J Chem Inf Model 2010
18


Composition and topology of activity cliff clusters formed by bioactive compounds.
Dagmar Stumpfe, Dilyana Dimova, Jürgen Bajorath. J Chem Inf Model 2014
28
32

Advancing the activity cliff concept, part II.
Dagmar Stumpfe, Antonio de la Vega de León, Dilyana Dimova, Jürgen Bajorath. F1000Res 2014
16
56

From activity cliffs to activity ridges: informative data structures for SAR analysis.
Martin Vogt, Yun Huang, Jürgen Bajorath. J Chem Inf Model 2011
35
20

Prediction of activity cliffs using support vector machines.
Kathrin Heikamp, Xiaoying Hu, Aixia Yan, Jürgen Bajorath. J Chem Inf Model 2012
33
18

From activity cliffs to target-specific scoring models and pharmacophore hypotheses.
Birte Seebeck, Markus Wagener, Matthias Rarey. ChemMedChem 2011
32
18


Molecular similarity in medicinal chemistry.
Gerald Maggiora, Martin Vogt, Dagmar Stumpfe, Jürgen Bajorath. J Med Chem 2014
269
12

Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
Maykel Cruz-Monteagudo, José L Medina-Franco, Yunierkis Pérez-Castillo, Orazio Nicolotti, M Natália D S Cordeiro, Fernanda Borges. Drug Discov Today 2014
87
12

SAR index: quantifying the nature of structure-activity relationships.
Lisa Peltason, Jürgen Bajorath. J Med Chem 2007
118
10

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.
Oscar Méndez-Lucio, Jaime Pérez-Villanueva, Rafael Castillo, José L Medina-Franco. Mol Inform 2012
23
21



BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities.
Tiqing Liu, Yuhmei Lin, Xin Wen, Robert N Jorissen, Michael K Gilson. Nucleic Acids Res 2007
992
10


Searching for coordinated activity cliffs using particle swarm optimization.
Vigneshwaran Namasivayam, Jürgen Bajorath. J Chem Inf Model 2012
13
38

The ChEMBL bioactivity database: an update.
A Patrícia Bento, Anna Gaulton, Anne Hersey, Louisa J Bellis, Jon Chambers, Mark Davies, Felix A Krüger, Yvonne Light, Lora Mak, Shaun McGlinchey,[...]. Nucleic Acids Res 2014
903
10

Matched molecular pairs as a medicinal chemistry tool.
Ed Griffen, Andrew G Leach, Graeme R Robb, Daniel J Warner. J Med Chem 2011
160
10



Compound pathway model to capture SAR progression: comparison of activity cliff-dependent and -independent pathways.
Dagmar Stumpfe, Dilyana Dimova, Kathrin Heikamp, Jürgen Bajorath. J Chem Inf Model 2013
6
66

Activity cliffs: facts or artifacts?
José L Medina-Franco. Chem Biol Drug Des 2013
38
10

Prediction of individual compounds forming activity cliffs using emerging chemical patterns.
Vigneshwaran Namasivayam, Preeti Iyer, Jürgen Bajorath. J Chem Inf Model 2013
9
44

Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs.
Jose L Medina-Franco, Karina Martínez-Mayorga, Andreas Bender, Ray M Marín, Marc A Giulianotti, Clemencia Pinilla, Richard A Houghten. J Chem Inf Model 2009
106
8


Systematic identification and classification of three-dimensional activity cliffs.
Ye Hu, Norbert Furtmann, Michael Gütschow, Jürgen Bajorath. J Chem Inf Model 2012
23
17

Modeling of activity landscapes for drug discovery.
Jürgen Bajorath. Expert Opin Drug Discov 2012
33
12

Matched molecular pair analysis in drug discovery.
Alexander G Dossetter, Edward J Griffen, Andrew G Leach. Drug Discov Today 2013
70
8

3D-QSAR in drug design--a review.
Jitender Verma, Vijay M Khedkar, Evans C Coutinho. Curr Top Med Chem 2010
313
8

Cytoscape: a software environment for integrated models of biomolecular interaction networks.
Paul Shannon, Andrew Markiel, Owen Ozier, Nitin S Baliga, Jonathan T Wang, Daniel Ramage, Nada Amin, Benno Schwikowski, Trey Ideker. Genome Res 2003
8

Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking.
Michael M Mysinger, Michael Carchia, John J Irwin, Brian K Shoichet. J Med Chem 2012
925
8

Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field.
Lingle Wang, Yujie Wu, Yuqing Deng, Byungchan Kim, Levi Pierce, Goran Krilov, Dmitry Lupyan, Shaughnessy Robinson, Markus K Dahlgren, Jeremy Greenwood,[...]. J Am Chem Soc 2015
582
8

QSAR modeling: where have you been? Where are you going to?
Artem Cherkasov, Eugene N Muratov, Denis Fourches, Alexandre Varnek, Igor I Baskin, Mark Cronin, John Dearden, Paola Gramatica, Yvonne C Martin, Roberto Todeschini,[...]. J Med Chem 2014
751
8



Relating protein pharmacology by ligand chemistry.
Michael J Keiser, Bryan L Roth, Blaine N Armbruster, Paul Ernsberger, John J Irwin, Brian K Shoichet. Nat Biotechnol 2007
8

Predicting new molecular targets for known drugs.
Michael J Keiser, Vincent Setola, John J Irwin, Christian Laggner, Atheir I Abbas, Sandra J Hufeisen, Niels H Jensen, Michael B Kuijer, Roberto C Matos, Thuy B Tran,[...]. Nature 2009
8

The Protein Data Bank.
H M Berman, J Westbrook, Z Feng, G Gilliland, T N Bhat, H Weissig, I N Shindyalov, P E Bourne. Nucleic Acids Res 2000
8

Detailed analysis of grid-based molecular docking: A case study of CDOCKER-A CHARMm-based MD docking algorithm.
Guosheng Wu, Daniel H Robertson, Charles L Brooks, Michal Vieth. J Comput Chem 2003
842
8



Activity landscape representations for structure-activity relationship analysis.
Anne Mai Wassermann, Mathias Wawer, Jürgen Bajorath. J Med Chem 2010
124
6


Co-cited is the co-citation frequency, indicating how many articles cite the article together with the query article. Similarity is the co-citation as percentage of the times cited of the query article or the article in the search results, whichever is the lowest. These numbers are calculated for the last 100 citations when articles are cited more than 100 times.